5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

C7H6I2NS3- — CID 165116439

IUPAC5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1[I-]I
InChIInChI=1S/C7H6I2NS3/c8-9-10-6(11)3-5-4(7(10)12)1-2-13-5/h3-4H,1-2H2/q-1
InChIKeyFRVWVSLRBYLBBT-UHFFFAOYSA-N
MW454.14 g/mol
LogP-0.05
Rot. Bonds1

About 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione

5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (PubChem CID 165116439) has the molecular formula C7H6I2NS3- and a molecular weight of 454.14 g/mol. Its IUPAC name is 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.

Molecular Properties

Compound Name5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
PubChem CID165116439
Molecular FormulaC7H6I2NS3-
Molecular Weight454.14 g/mol
Exact Mass453.78
IUPAC Name5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
SMILESS=C1C=C2SCCC2C(=S)N1[I-]I
InChIInChI=1S/C7H6I2NS3/c8-9-10-6(11)3-5-4(7(10)12)1-2-13-5/h3-4H,1-2H2/q-1
InChIKeyFRVWVSLRBYLBBT-UHFFFAOYSA-N
XLogP-0.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87430206
5-iodo-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 129095718
(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 143080094
5-sulfanyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 155596285
3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-ide-4,6-dithione;yttrium
CID 164595003
[4,6-bis(sulfanylidene)-3,3a-dihydro-2H-thieno[3,2-c]pyridin-5-yl] thiohypoiodite
CID 165116329

Frequently Asked Questions

What is the IUPAC name of 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The IUPAC name of 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione (CID 165116439) is 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione.
What is the SMILES notation for 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The canonical SMILES for 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is S=C1C=C2SCCC2C(=S)N1[I-]I.
What is the InChIKey of 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
The InChIKey is FRVWVSLRBYLBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2NS3/c8-9-10-6(11)3-5-4(7(10)12)1-2-13-5/h3-4H,1-2H2/q-1.
What are the key properties of 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione?
5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione has a molecular weight of 454.14 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodoiodanuidyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione is sourced from PubChem (CID 165116439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).